REMARK  Name = BDB022474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.665   0.815   1.336  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.914   1.680   0.520  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.328   2.197   0.935  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -0.808   1.848   2.204  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.078   0.994   3.028  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.145   0.480   2.595  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.448  -0.762  -0.005  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        5.338  -0.127   1.237  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.109   0.384   1.673  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        2.958   0.276   0.880  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        3.081  -0.364  -0.362  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.309  -0.878  -0.800  0.00  0.00    +0.024 A 
BRANCH   7  14
ATOM     13  C   LIG    1        7.073  -1.866  -1.548  0.00  0.00    +0.241 C 
ATOM     14  N   LIG    1        6.719  -1.252  -0.368  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1        7.460  -1.087   0.299  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.374  -2.056  -2.535  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1        9.225  -2.727  -0.576  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        8.506  -2.272  -1.611  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1       -1.130   3.147   0.054  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -0.468   4.533   0.078  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -1.253   2.643  -1.389  0.00  0.00    +0.225 C 
ATOM     22  N   LIG    1       -2.115   1.649  -1.740  0.00  0.00    -0.268 N 
ATOM     23  H   LIG    1       -2.022   1.370  -2.706  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1       -0.535   3.097  -2.291  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.079   1.001  -1.008  0.00  0.00    +0.147 A 
ATOM     26  N   LIG    1       -3.442   1.286   0.239  0.00  0.00    -0.158 NA
ATOM     27  N   LIG    1       -4.396   0.392   0.530  0.00  0.00    -0.279 N 
ATOM     28  H   LIG    1       -4.806   0.417   1.458  0.00  0.00    +0.189 HD
ATOM     29  C   LIG    1       -4.698  -0.458  -0.502  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -3.852  -0.069  -1.521  0.00  0.00    +0.068 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -5.750  -1.539  -0.389  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -5.383  -2.511   0.748  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -7.123  -0.907  -0.099  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -5.855  -2.346  -1.698  0.00  0.00    +0.017 C 
ENDBRANCH  29  31
ENDBRANCH  22  25
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7